tert-butyl 2-[2,8-bis(trifluoromethyl)quinolin-4-yl]carbonylpyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[2,8-bis(trifluoromethyl)quinolin-4-yl]carbonylpyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[2,8-bis(trifluoromethyl)quinoline-4-carbonyl]pyrrolidine-1-carboxylate CAS Name: 2-[[2,8-bis(trifluoromethyl)-4-quinolinyl]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2,8-bis(trifluoromethyl)quinoline-4-carbonyl]pyrrolidine-1-carboxylate Traditional Name: 2-[2,8-bis(trifluoromethyl)quinoline-4-carbonyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H20F6N2O3 MolecularWeight: 462.385519

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C(=O)C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H20F6N2O3/c1-19(2,3)32-18(31)29-9-5-8-14(29)17(30)12-10-15(21(25,26)27)28-16-11(12)6-4-7-13(16)20(22,23)24/h4,6-7,10,14H,5,8-9H2,1-3H3